Structure–Property Relationships of Near-Infrared Cyanine Dyes: Chalcogen-Driven Singlet Oxygen Generation with High Fluorescence Efficiency
Shufan Yang, Ewan Forsyth, Wuyang Lin, Kerry Setchfield, Rachel Crespo-Otero, Devis Di Tommaso, Annamaria Lilienkampf, Amanda Wright, Mark Bradley
TL;DR
Scientists designed new near-infrared dyes with high light absorption and efficient singlet oxygen generation, useful for imaging and therapy.
Contribution
Novel cyanine dyes with chalcogens show high singlet oxygen generation and fluorescence in the deep-NIR range.
Findings
Dyes showed deep-NIR absorption and emission with high extinction coefficients.
Selenium-based dyes achieved 13% singlet oxygen quantum yield in the deep-NIR region.
TDDFT calculations aligned with experimental data, confirming structural trends.
Abstract
We report the design, synthesis, and optical characterisations of eight novel near-infrared (NIR) cyanine dyes incorporating different chalcogens (O, S, and Se). These dyes exhibited excellent deep-NIR absorption (λmax = 767–833 nm) and emission (λmax = 784–859 nm) profiles. TDDFT calculations matched well the experimental trends and data. All compounds exhibited high extinction coefficients (178,000–267,000 cm–1 M–1) and good fluorescence quantum yields, resulting in high overall brightnesses. Remarkably, the selenium-containing dyes featuring terminal indole and benzoindole-type units exhibited impressive singlet oxygen quantum yields of around 13%, a standout performance in the deep-NIR region. These values are particularly promising and highlights the potential of these dyes for deep-NIR imaging and photodynamic applications.
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Taxonomy
TopicsNanoplatforms for cancer theranostics · Photodynamic Therapy Research Studies · Luminescence and Fluorescent Materials